DocumentCode
2801648
Title
A simulative method for the analysis of conduction properties of ion channels based on first-principle approaches
Author
Affinito, Fabio ; Bigiani, A. ; Brunetti, R. ; Carloni, P. ; Jacoboni, C. ; Piccinini, E. ; Rudan, M.
Author_Institution
Dipt. di Fisica, UniMoRe, Modena, Italy
fYear
2004
fDate
24-27 Oct. 2004
Firstpage
137
Lastpage
138
Abstract
The aim of this work is to study the conduction properties of selective ion channels by means of a Monte Carlo simulation that yields both current and its noise under open-gate conditions. A multi-ion model is used, where the ion binding sites around and inside the protein, the allowed transitions between different occupancy states and the associated rate constants are obtained from the atomic structure and ab-initio MD simulations.
Keywords
Monte Carlo methods; ab initio calculations; biomembrane transport; ionic conductivity; Monte Carlo simulation; ab-initio MD simulation; atomic structure; conduction properties; first-principle approach; ion binding sites; multi-ion model; selective ion channels; Biomembranes; Conductivity; Monte Carlo methods;
fLanguage
English
Publisher
ieee
Conference_Titel
Computational Electronics, 2004. IWCE-10 2004. Abstracts. 10th International Workshop on
Conference_Location
West Lafayette, IN, USA
Print_ISBN
0-7803-8649-3
Type
conf
DOI
10.1109/IWCE.2004.1407365
Filename
1407365
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